N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-phenyl-1,2,3-triazole-4-carboxamide

Systemtic Name: N-[6-azanyl-1-(2-methylpropyl)-2,4-bis(oxidanylidene)pyrimidin-5-yl]-N-butyl-2-phenyl-1,2,3-triazole-4-carboxamide Openeye Name: N-(6-amino-1-isobutyl-2,4-dioxo-pyrimidin-5-yl)-N-butyl-2-phenyl-triazole-4-carboxamide CAS Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxo-5-pyrimidinyl]-N-butyl-2-phenyl-4-triazolecarboxamide IUPAC Name: N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-butyl-2-phenyltriazole-4-carboxamide Traditional Name: N-(6-amino-1-isobutyl-2,4-diketo-pyrimidin-5-yl)-N-butyl-2-phenyl-triazole-4-carboxamide Formula: C21H27N7O3 MolecularWeight: 425.48418

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=NN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCN(C1=C(N(C(=O)NC1=O)CC(C)C)N)C(=O)C2=NN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H27N7O3/c1-4-5-11-26(17-18(22)27(13-14(2)3)21(31)24-19(17)29)20(30)16-12-23-28(25-16)15-9-7-6-8-10-15/h6-10,12,14H,4-5,11,13,22H2,1-3H3,(H,24,29,31)